N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine

C16H18ClNO2 — CID 39398937

IUPACN-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-19-15-7-2-3-8-16(15)20-10-9-18-12-13-5-4-6-14(17)11-13/h2-8,11,18H,9-10,12H2,1H3
InChIKeyPMSGUAYMIBNZTP-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.52
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine

N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine (PubChem CID 39398937) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
PubChem CID39398937
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-19-15-7-2-3-8-16(15)20-10-9-18-12-13-5-4-6-14(17)11-13/h2-8,11,18H,9-10,12H2,1H3
InChIKeyPMSGUAYMIBNZTP-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile
CID 60676906
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17293750
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17294158
2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367883

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine (CID 39398937) is N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine is COc1ccccc1OCCNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The InChIKey is PMSGUAYMIBNZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-15-7-2-3-8-16(15)20-10-9-18-12-13-5-4-6-14(17)11-13/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 39398937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).